Vaishali Thakkur

1. Achieving an Order of Magnitude Speed-up in Hybrid Functional and Plane Wave based Ab Initio Molecular Dynamics: Applications to Proton Transfer Reactions in Enzymes and in Solution
   2021/01/08 by Sagarmoy Mandal, Mandal, Sagarmoy, Vaishali Thakkur +3 · 1 citation
   Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #Electron Spin Resonance Studies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Photochemistry and Electron Transfer Studies #Spectroscopy and Quantum Chemical Studies